A Computational Study of 3‐D Helium Clusters

Physical and thermodynamic properties have been calculated and analyzed for the best and optimized geometries of the 3‐D clusters with N = 3 to N = 10 atoms and unit cells of three types of crystalline systems using ab initio RHF/6–31G^** method. Dependence of the lattice binding energy on the cluster parameter, R, has been studied. Similar behavior observed for the binding energies for all clusters shows that probabilities of their existence in the condensed phase are more or less the same. In the next step, thermodynamic properties have been calculated and analyzed for He₂₇ 3‐D helium clusters with simple cubic, body centered cubic (bcc), trigonal and hexagonal (hcp) configurations. The results show that the hexagonal cluster is more favored over other clusters. It is found that these clusters are electronically stable over a limited range of the values for the lattice parameter. Δ_fH is constant in this stability region and thus the Δ_fG exactly follows the variations of TΔ_fS. Surface effects have been investigated by comparing the square and hexagonal He₉ 2‐D lattices with the cubic and hexagonal He₂₇ 3‐D lattices, respectively. The lattice parameters, densities and molar volumes calculated for the clusters with hcp and bcc configurations have satisfactory agreement with the available experimental values. Properties of the He₁₃, He₃₄ and He₁₀₄ hcp clusters have also been calculated and analyzed.     

Driver Countries in Global Banking Network

We analyze the network of cross-border bank lending connections among countries from 1977 to 2018. The network includes core countries that lend money and peripheral countries that borrow money from core countries. In nowadays highly connected banking network, financial crisis that start from a country can spread to other countries very fast and cause global affects. We use principal component analysis (PCA) to find the influential lending (core) countries in this network over the years and clusters of borrowing (peripheral) countries related to these impactful core countries. We find three clusters of peripheral countries, with some constant and some changing members over time. This can be a sign of changes in the financial or political interactions among countries. The changes in the role of core countries and how these roles get affected by the important financial crisis in the past decades is investigated. Among 31 of core countries, 7 countries have a partially or constantly important role in the network including France, United Kingdom, United States, Japan, Germany, Chinese Taipei and Switzerland.     

Synthesis of WO2pyprMCM-41 as selective and reusable catalyst for the epoxidation of alkenes

The sythesis, characterization and catalytic activity of WO₂pypr [N,N′-bis (2-pyrrolmethlidenaminopropyl) amine] complexed to MCM-41 surface in the epoxidation of some alkenes with excellent selectivity toward the corresponding epoxides is described in this presentation.     

A hybrid modified FA-ANFIS-P&O approach for MPPT in photovoltaic systems under PSCs

ABSTRACT

A modified firefly algorithm (MFO)-based adaptive neuro-fuzzy inference system (ANFIS) combined with the perturbation and observation (P&O) is used in this paper to track the maximum power point (MPP) in photovoltaic systems (PVs). The proposed method identifies and tracks the MPP in two stages. First, according to the irradiance on the solar panels, the ANFIS approximately identifies the MPP. In the second stage, the P&O method starts to act in the tracking cycle and initiates an accurate searching process from that point. The suggested hybrid method covers the problems of commonly-used methods, such as inability in detecting the global MPP under partial shading conditions (PSCs) and trapping in the local optima. Furthermore, the method provides significantly higher speed for the MPP tracking under various irradiance patterns. To prove the above-mentioned claims, the given approach is compared with the P&O method as a common method in the MPPT and particle swarm optimisation (PSO) which operates based on swarm intelligence. Simulation results obtained from MATLAB/Simulink environment show that the proposed method identifies and tracks the MPP under uniform irradiance and PSCs in a very short time of roughly 0.2 s.     

Performance Analysis of TCP with Delayed Acknowledgments in Multi-hop Ad-hoc Networks

The acknowledgment strategy has great potential to increase TCP throughput when it runs over 802.11 MAC protocol. In particular, TCP acknowledgments (ACK) carry out an extensive number of medium accesses as they compete in the same route as data packets for media. In this paper, we first propose a dynamic TCP-MAC interaction strategy which tries to reduce the number of induced ACKs by monitoring the channel condition. To this end, the total collision probability collected along the path from sender to receiver in MAC layer has been used to properly set the number of delayed ACKs (DA) in TCP. Based on the estimated collision probability, TCP sender dynamically adjusts itself to the channel condition by delaying less ACKs in high traffic conditions and more ACKs in low traffic conditions. The simulation results show a throughput improvement up to 15% over the existing method called Dynamic Adaptive Acknowledgment (TCP-DAA) and much more over the regular TCP in different scenarios dealing with a dynamic loss rate. In addition, we show that our proposed strategy does not always benefit from a fixed delay policy along with a fixed congestion window size. In fact, the optimal number of delayed ACKs is based on the path length of a TCP connection and a large delay window may solely improve TCP throughput in short ranges with less number of flows. However, in a longer path congestion window limit provides more throughput gain.     

One-pot,three-component,catalyst-free synthesis of novel derivatives of pyrido-[2,3-d]pyrimidines under ultrasonic irradiations

Novel derivatives of pyrido-[2,3-d] pyrimidines were synthesized via an efficient and catalyst- free, one-pot, three-component reaction of 3-(1-methyl-1H-pyrrol-2-yl)-3-oxopropanenitrile, 6-amino-(ethylthio)pyrimidine-4(3H)-one, and arylaldehydes under ultrasonic irradiations. This practical method furnished the desired pyridopyrimidines in high yields (79–89%) and short reaction times (25–40 min).     

Modeling absorption spectrum and saturation intensity of ZnO nano-colloid

In this work, the complex magnitude of the dielectric constant of a thin film of ZnO nano-particles has been obtained in the range of visible spectrum. Using this spectrum, the UV–visible absorptive spectrum of ZnO spherical nano-colloid is obtained using Mie theory. The absorption spectrum of ZnO nano-colloid has been related to the optical properties of the prepared thin film with a simulation model based on the Mie theory and the findings are corroborated by fitting with the experimental results. Based on this curve fitting, the volume fraction of nanoparticles in the nano-colloid is obtained and the diameter (and the Bohr radius) of the molecules contributing in a nanoparticle crystal structure has been obtained. In this paper, frequency dependence of the optical properties coefficients and also local field considerations are applied. Finally the precise magnitude of saturation intensity of ZnO nano-colloid is measured.     

Metal organic framework–derived core-shell CuO@NiO nanosphares as hole transport material in perovskite solar cell

Journal of Solid State Electrochemistry - Cu-Ni bimetallic organic frameworks were synthesized by a facile and stepwise solvothermal method, utilizing metal organic framework as precursor....